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Details

Stereochemistry ACHIRAL
Molecular Formula C13H15BrN4O2
Molecular Weight 339.188
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-((3-BROMO-4,5-DIMETHOXYPHENYL)METHYL)-2,4-PYRIMIDINEDIAMINE

SMILES

COC1=C(OC)C(Br)=CC(CC2=CN=C(N)N=C2N)=C1

InChI

InChIKey=XJSNBPJINGRLAM-UHFFFAOYSA-N
InChI=1S/C13H15BrN4O2/c1-19-10-5-7(4-9(14)11(10)20-2)3-8-6-17-13(16)18-12(8)15/h4-6H,3H2,1-2H3,(H4,15,16,17,18)

HIDE SMILES / InChI

Molecular Formula C13H15BrN4O2
Molecular Weight 339.188
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 13:19:13 UTC 2023
Edited
by admin
on Thu Jul 06 13:19:13 UTC 2023
Record UNII
VS20D6Q9V2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-((3-BROMO-4,5-DIMETHOXYPHENYL)METHYL)-2,4-PYRIMIDINEDIAMINE
Systematic Name English
TRIMETHOPRIM IMPURITY F [EP IMPURITY]
Common Name English
2,4-PYRIMIDINEDIAMINE, 5-((3-BROMO-4,5-DIMETHOXYPHENYL)METHYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
VS20D6Q9V2
Created by admin on Thu Jul 06 13:19:13 UTC 2023 , Edited by admin on Thu Jul 06 13:19:13 UTC 2023
PRIMARY
EPA CompTox
DTXSID70388342
Created by admin on Thu Jul 06 13:19:13 UTC 2023 , Edited by admin on Thu Jul 06 13:19:13 UTC 2023
PRIMARY
CAS
16285-82-8
Created by admin on Thu Jul 06 13:19:13 UTC 2023 , Edited by admin on Thu Jul 06 13:19:13 UTC 2023
PRIMARY
PUBCHEM
3008014
Created by admin on Thu Jul 06 13:19:13 UTC 2023 , Edited by admin on Thu Jul 06 13:19:13 UTC 2023
PRIMARY
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